Benzhydrylpiperazine

HCID 70048CAS 841-77-0

기본 정보

표준 SMILES
c1ccc(C(c2ccccc2)N2CCNCC2)cc1
InChIKey
NWVNXDKZIQLBNM-UHFFFAOYSA-N
분자식
C17H20N2
평균 분자량
252.35 g/mol
단동위원소 질량
252.16264865

이름 및 식별자

우선 이름
Benzhydrylpiperazine
IUPAC
1-benzhydrylpiperazine
영어명
1-Benzhydrylpiperazine
분자식
C17H20N2
분자량
252.35

이름 및 동의어

1-Benzhydrylpiperazine841-77-01-(Diphenylmethyl)piperazineBenzhydrylpiperazineNorcyclizine4-BenzhydrylpiperazineN-(Diphenylmethyl)piperazinePiperazine, 1-(diphenylmethyl)-NU6V5ZHD9PNSC-35536DTXSID80232968RefChem:166584
이름 더 보기
NSC 35536AKOS NCG1-0108AKOS BBS-00003601TIMTEC-BB SBB003136Benzhydrol piperzineLABOTEST-BB LT00454383
DTXCID10155459212-667-7Diphenylmethylpiperazine1-Benzhydryl-piperazineN-BenzhydrylpiperazineNormethylcyclizineCinnarizine EP Impurity AMFCD00038379

데이터베이스 식별자

CAS
841-77-0
PubChem CID
70048
DTXSID
DTXSID80232968
ChEMBL
CHEMBL1490469
UNII
NU6V5ZHD9P
EC Number
212-667-7
Nikkaji
J29.024F

물성

구조 계산 물성

XLogP
2.8
극성 표면적
15.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
3
무거운 원자 수
19

실험 및 물리화학적 성질

Solubility25 [ug/mL] (The mean of the results at pH 7.4)
Kovats Retention Index2219

물리화학적 성질

녹는점
90 · 90-93 °C
끓는 점
185 °C/2mmHg · 185°C/2mmHg(lit.)
밀도
1.0546 · 1.0546 (rough estimate)
증기압
0.001 Pa · 0.001Pa at 20℃
굴절률
1.5794 · 1.5794 (estimate)
인화점
115 °C · 115 °C

화학적 성질

white to light yellow crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 1.9% (1 of 52) of reports.

Warning

H302 (92.3%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (13.5%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (13.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (11.5%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (11.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 52 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 52 reports by companies.;There are 9 notifications provided by 51 of 52 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory InformationStatus: Active Update: 12-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24243
Hazard Classes and CategoriesAcute Tox. 4 (92.3%);Skin Irrit. 2 (13.5%);Eye Irrit. 2A (13.5%);Acute Tox. 4 (11.5%);STOT SE 3 (11.5%)

규제 정보

Regulatory InformationStatus: Active Update: 12-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24243

안전 데이터

wgk
3
rtecs
TL6465000
HS 번호
29339900
risk_code
22
hazard_code
Xn,Xi
safety_code
22-24/25

화학 및 산업

약리 정보

Metabolism/Metabolites1-Benzhydrylpiperazine is a known human metabolite of cinnarizine.
응용 분야 · 2건

용도1-Benzhydrylpiperazine is an intermediate used in drug synthesis

일반 설명1-(Diphenylmethyl)piperazine is an intermediate during drug synthesis. It has been reported to be formed during the oxidative metabolism of cinnarizine (CZ) [1-(diphenylmethyl)-4-(3-phenyl-2-propenyl)-piperazine] in rat liver microsomes. It reacts with quinone in acetonitrile, followed by oxidation with an alkaline potassium ferricyanide, to afford 4-amino-3,6-di(tert-butyl)-o-benzoquinones.

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
天津始加生物医药科技有限公司15022261580 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]

관련 반응

331건

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